8YLE
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![BU of 8yle by Molmil](/molmil-images/mine/8yle) | Crystal structure of Werner syndrome helicase complexed with AMP-PCP | Descriptor: | 1,2-ETHANEDIOL, Bifunctional 3'-5' exonuclease/ATP-dependent helicase WRN, PHOSPHOMETHYLPHOSPHONIC ACID ADENYLATE ESTER, ... | Authors: | Yang, Y, Fu, L, Sun, X, Cheng, H, Chen, R. | Deposit date: | 2024-03-06 | Release date: | 2024-04-10 | Method: | X-RAY DIFFRACTION (1.86 Å) | Cite: | Structure of werner syndrome helicase complexed with AMP-PCP at 1.86 Angstroms resolution. To Be Published
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7YV4
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![BU of 7yv4 by Molmil](/molmil-images/mine/7yv4) | Crystal structure of human UCHL3 in complex with Farrerol | Descriptor: | (2~{S})-2-(4-hydroxyphenyl)-6,8-dimethyl-5,7-bis(oxidanyl)-2,3-dihydrochromen-4-one, Ubiquitin carboxyl-terminal hydrolase isozyme L3 | Authors: | Mao, Z.Y, Xu, X.J, Zhang, W.T. | Deposit date: | 2022-08-18 | Release date: | 2023-04-19 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.58 Å) | Cite: | Farrerol directly activates the deubiqutinase UCHL3 to promote DNA repair and reprogramming when mediated by somatic cell nuclear transfer. Nat Commun, 14, 2023
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7EIN
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![BU of 7ein by Molmil](/molmil-images/mine/7ein) | SARS-CoV-2 main proteinase complex with microbial metabolite leupeptin | Descriptor: | 3C-like proteinase, leupeptin | Authors: | Fu, L.F, Feng, Y, Qi, J.X, Gao, G.F. | Deposit date: | 2021-03-31 | Release date: | 2021-07-07 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Mechanism of Microbial Metabolite Leupeptin in the Treatment of COVID-19 by Traditional Chinese Medicine Herbs. Mbio, 12, 2021
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7YE7
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![BU of 7ye7 by Molmil](/molmil-images/mine/7ye7) | Crystal structure of SARS-CoV-2 soluble dimeric ORF9b | Descriptor: | N-OCTANE, ORF9b protein, nonane | Authors: | Jin, X, Chai, Y, Qi, J, Song, H, Gao, G.F. | Deposit date: | 2022-07-05 | Release date: | 2022-10-19 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.95 Å) | Cite: | Structural characterization of SARS-CoV-2 dimeric ORF9b reveals potential fold-switching trigger mechanism. Sci China Life Sci, 66, 2023
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7YMJ
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![BU of 7ymj by Molmil](/molmil-images/mine/7ymj) | Cryo-EM structure of alpha1AAR-Nb6 complex bound to tamsulosin | Descriptor: | Nb6, Tamsulosin, alpha1A-adrenergic receptor | Authors: | Toyoda, Y, Zhu, A, Yan, C, Kobilka, B.K, Liu, X. | Deposit date: | 2022-07-28 | Release date: | 2023-07-05 | Method: | ELECTRON MICROSCOPY (3.35 Å) | Cite: | Structural basis of alpha 1A -adrenergic receptor activation and recognition by an extracellular nanobody. Nat Commun, 14, 2023
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7YMH
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![BU of 7ymh by Molmil](/molmil-images/mine/7ymh) | Cryo-EM structure of Nb29-alpha1AAR-miniGsq complex bound to noradrenaline | Descriptor: | Nb29, Noradrenaline, alpha1A-adrenergic receptor, ... | Authors: | Toyoda, Y, Zhu, A, Yan, C, Kobilka, B.K, Liu, X. | Deposit date: | 2022-07-28 | Release date: | 2023-07-05 | Method: | ELECTRON MICROSCOPY (3.52 Å) | Cite: | Structural basis of alpha 1A -adrenergic receptor activation and recognition by an extracellular nanobody. Nat Commun, 14, 2023
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7YM8
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![BU of 7ym8 by Molmil](/molmil-images/mine/7ym8) | Cryo-EM structure of Nb29-alpha1AAR-miniGsq complex bound to oxymetazoline | Descriptor: | CHOLESTEROL HEMISUCCINATE, Oxymetazoline, alpha1A adrenergic receptor, ... | Authors: | Toyoda, Y, Zhu, A, Yan, C, Kobilka, B.K, Liu, X. | Deposit date: | 2022-07-27 | Release date: | 2023-07-05 | Method: | ELECTRON MICROSCOPY (2.92 Å) | Cite: | Structural basis of alpha 1A -adrenergic receptor activation and recognition by an extracellular nanobody. Nat Commun, 14, 2023
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7C2E
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![BU of 7c2e by Molmil](/molmil-images/mine/7c2e) | GLP-1R-Gs complex structure with a small molecule full agonist | Descriptor: | 2-[[4-[6-[(4-cyano-2-fluoranyl-phenyl)methoxy]pyridin-2-yl]-3,6-dihydro-2~{H}-pyridin-1-yl]methyl]-3-[[(2~{S})-oxetan-2-yl]methyl]imidazo[4,5-b]pyridine-5-carboxylic acid, Glucagon-like peptide 1 receptor, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, ... | Authors: | Ma, H, Yuan, D.P, Huang, W, Wenge, Z, Xu, E. | Deposit date: | 2020-05-07 | Release date: | 2020-08-26 | Last modified: | 2020-12-16 | Method: | ELECTRON MICROSCOPY (4.2 Å) | Cite: | Structural insights into the activation of GLP-1R by a small molecule agonist. Cell Res., 30, 2020
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7CL0
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![BU of 7cl0 by Molmil](/molmil-images/mine/7cl0) | Crystal structure of human SIRT6 | Descriptor: | 1,2-ETHANEDIOL, DI(HYDROXYETHYL)ETHER, NAD-dependent protein deacetylase sirtuin-6, ... | Authors: | Song, K, Zhang, J. | Deposit date: | 2020-07-20 | Release date: | 2021-02-24 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.53 Å) | Cite: | Reply to: Binding site for MDL-801 on SIRT6. Nat.Chem.Biol., 17, 2021
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7CL1
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![BU of 7cl1 by Molmil](/molmil-images/mine/7cl1) | Human SIRT6 in complex with allosteric activator MDL-801 (3.2A) | Descriptor: | 5-[[3,5-bis(chloranyl)phenyl]sulfonylamino]-2-[(5-bromanyl-4-fluoranyl-2-methyl-phenyl)sulfamoyl]benzoic acid, DI(HYDROXYETHYL)ETHER, GLYCEROL, ... | Authors: | Song, K, Zhang, J. | Deposit date: | 2020-07-20 | Release date: | 2021-02-24 | Last modified: | 2021-05-12 | Method: | X-RAY DIFFRACTION (3.2 Å) | Cite: | Reply to: Binding site for MDL-801 on SIRT6. Nat.Chem.Biol., 17, 2021
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7DZ2
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![BU of 7dz2 by Molmil](/molmil-images/mine/7dz2) | Crystal structures of D-allulose 3-epimerase from Sinorhizobium fredii | Descriptor: | D-tagatose 3-epimerase, MAGNESIUM ION, SULFATE ION | Authors: | Zhu, Z.L, Miyakawa, T, Tanokura, M, Lu, F.P, Qin, H.-M. | Deposit date: | 2021-01-23 | Release date: | 2022-08-03 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.55 Å) | Cite: | Substantial Improvement of an Epimerase for the Synthesis of D-Allulose by Biosensor-Based High-Throughput Microdroplet Screening Angew.Chem.Int.Ed.Engl., 2023
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7DZ3
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![BU of 7dz3 by Molmil](/molmil-images/mine/7dz3) | Crystal structures of D-allulose 3-epimerase with D-fructose from Sinorhizobium fredii | Descriptor: | D-fructose, D-tagatose 3-epimerase, MAGNESIUM ION | Authors: | Zhu, Z.L, Miyakawa, T, Tanokura, M, Lu, F.P, Qin, H.-M. | Deposit date: | 2021-01-23 | Release date: | 2022-08-03 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.88 Å) | Cite: | Substantial Improvement of an Epimerase for the Synthesis of D-Allulose by Biosensor-Based High-Throughput Microdroplet Screening Angew.Chem.Int.Ed.Engl., 2023
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7DZ4
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![BU of 7dz4 by Molmil](/molmil-images/mine/7dz4) | Crystal structures of D-allulose 3-epimerase with D-tagatose from Sinorhizobium fredii | Descriptor: | D-tagatose, D-tagatose 3-epimerase, MAGNESIUM ION | Authors: | Zhu, Z.L, Miyakawa, T, Tanokura, M, Lu, F.P, Qin, H.-M. | Deposit date: | 2021-01-23 | Release date: | 2022-08-03 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.84 Å) | Cite: | Substantial Improvement of an Epimerase for the Synthesis of D-Allulose by Biosensor-Based High-Throughput Microdroplet Screening Angew.Chem.Int.Ed.Engl., 2023
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7DZ6
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![BU of 7dz6 by Molmil](/molmil-images/mine/7dz6) | Crystal structures of D-allulose 3-epimerase with D-allulose from Sinorhizobium fredii | Descriptor: | D-psicose, D-tagatose 3-epimerase, MAGNESIUM ION | Authors: | Zhu, Z.L, Miyakawa, T, Tanokura, M, Lu, F.P, Qin, H.-M. | Deposit date: | 2021-01-23 | Release date: | 2022-08-03 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Substantial Improvement of an Epimerase for the Synthesis of D-Allulose by Biosensor-Based High-Throughput Microdroplet Screening Angew.Chem.Int.Ed.Engl., 2023
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7DZ5
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![BU of 7dz5 by Molmil](/molmil-images/mine/7dz5) | Crystal structures of D-allulose 3-epimerase with D-sorbose from Sinorhizobium fredii | Descriptor: | D-sorbose, D-tagatose 3-epimerase, MAGNESIUM ION, ... | Authors: | Zhu, Z.L, Miyakawa, T, Tanokura, M, Lu, F.P, Qin, H.-M. | Deposit date: | 2021-01-23 | Release date: | 2022-08-03 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Substantial Improvement of an Epimerase for the Synthesis of D-Allulose by Biosensor-Based High-Throughput Microdroplet Screening Angew.Chem.Int.Ed.Engl., 2023
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7YE8
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![BU of 7ye8 by Molmil](/molmil-images/mine/7ye8) | Crystal structure of SARS-CoV-2 refolded dimeric ORF9b | Descriptor: | N-OCTANE, ORF9b protein | Authors: | Jin, X, Chai, Y, Qi, J, Song, H, Gao, G.F. | Deposit date: | 2022-07-05 | Release date: | 2022-10-19 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (3.01 Å) | Cite: | Structural characterization of SARS-CoV-2 dimeric ORF9b reveals potential fold-switching trigger mechanism. Sci China Life Sci, 66, 2023
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7WFY
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![BU of 7wfy by Molmil](/molmil-images/mine/7wfy) | |
6K41
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![BU of 6k41 by Molmil](/molmil-images/mine/6k41) | cryo-EM structure of alpha2BAR-GoA complex | Descriptor: | 4-[(1~{S})-1-(2,3-dimethylphenyl)ethyl]-1~{H}-imidazole, Alpha-2A adrenergic receptor,Endolysin,Alpha-2B adrenergic receptor,Alpha-2B adrenergic receptor, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, ... | Authors: | Yuan, D, Liu, Z, Wang, H.W, Kobilka, B.K. | Deposit date: | 2019-05-23 | Release date: | 2020-04-15 | Last modified: | 2020-05-13 | Method: | ELECTRON MICROSCOPY (2.9 Å) | Cite: | Activation of the alpha2Badrenoceptor by the sedative sympatholytic dexmedetomidine. Nat.Chem.Biol., 16, 2020
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6K42
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![BU of 6k42 by Molmil](/molmil-images/mine/6k42) | cryo-EM structure of alpha2BAR-Gi1 complex | Descriptor: | 4-[(1~{S})-1-(2,3-dimethylphenyl)ethyl]-1~{H}-imidazole, Alpha-2A adrenergic receptor,Endolysin,Alpha-2B adrenergic receptor,Alpha-2B adrenergic receptor, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, ... | Authors: | Yuan, D, Liu, Z, Wang, H.W, Kobilka, B.K. | Deposit date: | 2019-05-23 | Release date: | 2020-04-15 | Last modified: | 2020-05-13 | Method: | ELECTRON MICROSCOPY (4.1 Å) | Cite: | Activation of the alpha2Badrenoceptor by the sedative sympatholytic dexmedetomidine. Nat.Chem.Biol., 16, 2020
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7C8P
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![BU of 7c8p by Molmil](/molmil-images/mine/7c8p) | |
7Z0P
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![BU of 7z0p by Molmil](/molmil-images/mine/7z0p) | SARS-COV2 Main Protease in complex with inhibitor MG-131 | Descriptor: | (1~{R},2~{S},5~{S})-3-[(2~{S})-2-(~{tert}-butylcarbamoylamino)-3,3-dimethyl-butanoyl]-6,6-dimethyl-~{N}-[(2~{S},3~{R})-4-(methylamino)-3-oxidanyl-4-oxidanylidene-1-[(3~{S})-2-oxidanylidenepyrrolidin-3-yl]butan-2-yl]-3-azabicyclo[3.1.0]hexane-2-carboxamide, 3C-like proteinase nsp5, SODIUM ION | Authors: | El Kilani, H, Hilgenfeld, R. | Deposit date: | 2022-02-23 | Release date: | 2022-04-27 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.52 Å) | Cite: | From Repurposing to Redesign: Optimization of Boceprevir to Highly Potent Inhibitors of the SARS-CoV-2 Main Protease. Molecules, 27, 2022
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8A4T
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![BU of 8a4t by Molmil](/molmil-images/mine/8a4t) | crystal structures of diastereomer (S,S,S)-13b (13b-K) in complex with the SARS-CoV-2 Mpro | Descriptor: | 3C-like proteinase nsp5, CHLORIDE ION, ~{tert}-butyl ~{N}-[1-[(2~{S})-3-cyclopropyl-1-oxidanylidene-1-[[(2~{S},3~{R})-3-oxidanyl-4-oxidanylidene-1-[(3~{S})-2-oxidanylidenepyrrolidin-3-yl]-4-[(phenylmethyl)amino]butan-2-yl]amino]propan-2-yl]-2-oxidanylidene-pyridin-3-yl]carbamate | Authors: | Ibrahim, M, Hilgenfeld, R, Zhang, L. | Deposit date: | 2022-06-13 | Release date: | 2022-10-12 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Diastereomeric Resolution Yields Highly Potent Inhibitor of SARS-CoV-2 Main Protease. J.Med.Chem., 65, 2022
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8A4Q
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![BU of 8a4q by Molmil](/molmil-images/mine/8a4q) | crystal structures of diastereomer (R,S,S)-13b (13b-H) in complex with the SARS-CoV-2 Mpro. | Descriptor: | 3C-like proteinase nsp5, CHLORIDE ION, DIMETHYL SULFOXIDE, ... | Authors: | Ibrahim, M, Hilgenfeld, R, Zhang, L. | Deposit date: | 2022-06-13 | Release date: | 2022-10-12 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (1.75 Å) | Cite: | Diastereomeric Resolution Yields Highly Potent Inhibitor of SARS-CoV-2 Main Protease. J.Med.Chem., 65, 2022
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